N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC(=O)NC(CC3=CC=CC=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC(=O)N[C@@H](CC3=CC=CC=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H23N3O3S/c29-24(16-32-18-10-11-22-23(15-18)31-13-12-30-22)26-21(14-17-6-2-1-3-7-17)25-27-19-8-4-5-9-20(19)28-25/h1-11,15,21H,12-14,16H2,(H,26,29)(H,27,28)/t21-/m0/s1